Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29515349 | 0.80 | CYP1A2 (0.37) | CA2CA9MEN1KMT2AALDH1A1 | |
| SCHEMBL26667759 | 0.77 | BRD4 (0.50) | CA2CA9CA12CA1CA4 | |
| SCHEMBL4611133 | 0.77 | CA9 (0.50) | CA2CA9CA12CA1CA4 | |
| SCHEMBL3919989 | 0.75 | MEN1 (0.42) | CA2CA9MEN1KMT2AALDH1A1 | |
| SCHEMBL7602309 | 0.75 | NOTUM (0.38) | CA2CA9CA12CA1CA4 | |
| SCHEMBL3917904 | 0.73 | GAA (0.34) | CA2CA9GAASMN1; SMN2 | |
| SCHEMBL2616815 | 0.70 | CA9 (0.59) | CA2CA9CA12CA1CA4 | |
| SCHEMBL3919487 | 0.70 | MEN1 (0.32) | CA2CA9MEN1KMT2A | |
| SCHEMBL3924964 | 0.70 | — | — | |
| SCHEMBL16368753 | 0.69 | CYP1A2 (0.41) | CA2CA9CA12CA1CA4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |